tert-butyl N-[(5S)-5-azanyl-6-[(4-nitrophenyl)amino]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: tert-butyl N-[(5S)-5-azanyl-6-[(4-nitrophenyl)amino]-6-oxidanylidene-hexyl]carbamate Openeye Name: tert-butyl N-[(5S)-5-amino-6-(4-nitroanilino)-6-oxo-hexyl]carbamate CAS Name: N-[(5S)-5-amino-6-(4-nitroanilino)-6-oxohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5S)-5-amino-6-(4-nitroanilino)-6-oxohexyl]carbamate Traditional Name: N-[(5S)-5-amino-6-keto-6-(4-nitroanilino)hexyl]carbamic acid tert-butyl ester Formula: C17H26N4O5 MolecularWeight: 366.41214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C17H26N4O5/c1-17(2,3)26-16(23)19-11-5-4-6-14(18)15(22)20-12-7-9-13(10-8-12)21(24)25/h7-10,14H,4-6,11,18H2,1-3H3,(H,19,23)(H,20,22)/t14-/m0/s1